Datasets and their properties. by Olaide N. Oyelade (14047002)

Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results by Se-Hee Jo (20554623)

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Reproducing kernel-based semiparametric functional smoothed score estimation with binary responses by Meichen Liu (8168148)

Calibration curves for the test set of four models. by Meng Cao (105914)

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SHAP bar plot. by Meng Cao (105914)

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ROC curves for the test set of four models. by Meng Cao (105914)

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Display of the web prediction interface. by Meng Cao (105914)

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Sample screening flowchart. by Meng Cao (105914)

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Descriptive statistics for variables. by Meng Cao (105914)

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SHAP summary plot. by Meng Cao (105914)

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Performance metrics of the models on the training and test set. by Meng Cao (105914)

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<i>hi</i>PRS algorithm process flow. by Michela C. Massi (14599915)

Data_Sheet_1_A Global Optimizer for Nanoclusters.PDF by Maya Khatun (7437011)

“…This method is implemented in PyAR (https://github.com/anooplab/pyar) program. The global optimization in PyAR involves two parts, generation of several trial geometries and gradient-based local optimization of the trial geometries. …”

Random forest model performs better than support vector machine algorithms and when it primarily uses spontaneous photopic ERG of 60-s duration in humans. by Ramsés Noguez Imm (6658637)

Multicategory Angle-Based Learning for Estimating Optimal Dynamic Treatment Regimes With Censored Data by Fei Xue (24567)

“…In this article, we develop a novel angle-based approach to search the optimal DTR under a multicategory treatment framework for survival data. …”

Spontaneous ERG-based random forest model discriminates control and disease cases in rodent models of obesity and type 1 diabetes and predicts disease evolution in the type 1 diabe... by Ramsés Noguez Imm (6658637)

Predictive Analysis of Mushroom Toxicity Based Exclusively on Their Natural Habitat. by Enrico Bertozzi (22461709)

“…Model evaluation was based on accuracy metrics and qualitative analysis of the confusion matrix.. …”

Active Learning Accelerated Discovery of Stable Iridium Oxide Polymorphs for the Oxygen Evolution Reaction by Raul A. Flores (2910539)

“…We emphasize that the proposed AL algorithm can be easily generalized to search for any binary metal oxide structure with a defined stoichiometry.…”

Machine Learning-Ready Dataset for Cytotoxicity Prediction of Metal Oxide Nanoparticles by Soham Savarkar (21811825)

“…</p><p dir="ltr">These biological metrics were used to define a binary toxicity label: entries were classified as toxic (1) or non-toxic (0) based on thresholds from standardized guidelines (e.g., ISO 10993-5:2009) and literature consensus. …”